5TIN

Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	136.301, 136.787, 192.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.610
R-factor	0.205
Rwork	0.204
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rif
RMSD bond length	0.008
RMSD bond angle	1.139
Data scaling software	HKL-2000 (2.3.8)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.610	2.610
Rmerge	0.138	0.920
Number of reflections	105901
<I/σ(I)>	11.42	2.7
Completeness [%]	98.4	86.9
Redundancy	7.2	5.9
CC(1/2)	0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	200 mM Calcium Chloride, 22.5-27.5% PEG-350MME, 100 mM MES